2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

C24H21N3O5 — CID 5436423

IUPAC2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1
InChIInChI=1S/C24H21N3O5/c28-22(15-27-14-17(12-23(27)29)16-6-2-1-3-7-16)26-25-13-18-10-11-21(32-18)19-8-4-5-9-20(19)24(30)31/h1-11,13,17H,12,14-15H2,(H,26,28)(H,30,31)/b25-13-/t17-/m1/s1
InChIKeyQOKTVZVHGYCXFU-DPKCJYKSSA-N
MW431.45 g/mol
LogP3.11
Rot. Bonds7

About 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 5436423) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID5436423
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1
InChIInChI=1S/C24H21N3O5/c28-22(15-27-14-17(12-23(27)29)16-6-2-1-3-7-16)26-25-13-18-10-11-21(32-18)19-8-4-5-9-20(19)24(30)31/h1-11,13,17H,12,14-15H2,(H,26,28)(H,30,31)/b25-13-/t17-/m1/s1
InChIKeyQOKTVZVHGYCXFU-DPKCJYKSSA-N
XLogP3.11
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 1237733
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
2-[5-[(E)-[[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6896803
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27153975
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 3674967
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 135606314
N-[(2,4-dichloro-5-nitrophenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5079637
2-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170199
N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 27003765
2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269614
2-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269619

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 5436423) is 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1.
What is the InChIKey of 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is QOKTVZVHGYCXFU-DPKCJYKSSA-N. The full InChI is InChI=1S/C24H21N3O5/c28-22(15-27-14-17(12-23(27)29)16-6-2-1-3-7-16)26-25-13-18-10-11-21(32-18)19-8-4-5-9-20(19)24(30)31/h1-11,13,17H,12,14-15H2,(H,26,28)(H,30,31)/b25-13-/t17-/m1/s1.
What are the key properties of 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 431.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-[[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 5436423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).